6-Amino-2-isopropylbenzothiazole - CAS 42517-23-7

Catalog:	BB025147
Product Name:	6-Amino-2-isopropylbenzothiazole
CAS:	42517-23-7
Synonyms:	2-propan-2-yl-1,3-benzothiazol-6-amine; 2-propan-2-yl-1,3-benzothiazol-6-amine

Technical Data

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Computed Properties

IUPAC Name:	2-propan-2-yl-1,3-benzothiazol-6-amine
Description:	6-Amino-2-isopropylbenzothiazole (CAS# 42517-23-7) is a useful research chemical.
Molecular Weight:	192.28
Molecular Formula:	C10H12N2S
Canonical SMILES:	CC(C)C1=NC2=C(S1)C=C(C=C2)N
InChI:	InChI=1S/C10H12N2S/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3
InChI Key:	HWXYBXYFYWOVAS-UHFFFAOYSA-N
Boiling Point:	329.4 °C at 760 mmHg
Density:	1.212 g/cm³
MDL:	MFCD03486863
LogP:	3.58310

Publication Number	Title	Priority Date
WO-2020142748-A1	Methods and materials for increasing transcription factor eb polypeptide levels	20190103
US-2021040118-A1	Immunomodulators, compositions and methods thereof	20180403
AU-2016303891-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20150804
AU-2016303891-B2	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20150804
EP-3331864-A2	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20150804

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.07211956
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.07211956
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9